N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane

C17H37N — CID 142406278

IUPACN-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane
SMILESC=C(C)C(NC(=C)C(C)(C)C)C(C)C.CC.CC
InChIInChI=1S/C13H25N.2C2H6/c1-9(2)12(10(3)4)14-11(5)13(6,7)8;2*1-2/h10,12,14H,1,5H2,2-4,6-8H3;2*1-2H3
InChIKeyUUGSLBRPFIDEJB-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.79
Rot. Bonds4

About N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane

N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane (PubChem CID 142406278) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane
PubChem CID142406278
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane
SMILESC=C(C)C(NC(=C)C(C)(C)C)C(C)C.CC.CC
InChIInChI=1S/C13H25N.2C2H6/c1-9(2)12(10(3)4)14-11(5)13(6,7)8;2*1-2/h10,12,14H,1,5H2,2-4,6-8H3;2*1-2H3
InChIKeyUUGSLBRPFIDEJB-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane with MolForge

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Related Compounds

ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126510317
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
3,3-dimethyl-N-(methylideneamino)but-1-en-2-amine;ethane
CID 155734617
ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
2,4,4-trimethylpent-1-en-3-amine
CID 15063448
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
CID 143357064
(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one
CID 170131875
N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
CID 126543294
2,2,5,5-tetramethyl-3-methylidene-4-propan-2-ylhexane
CID 174065751

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane (CID 142406278) is N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane is C=C(C)C(NC(=C)C(C)(C)C)C(C)C.CC.CC.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane?
The InChIKey is UUGSLBRPFIDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.2C2H6/c1-9(2)12(10(3)4)14-11(5)13(6,7)8;2*1-2/h10,12,14H,1,5H2,2-4,6-8H3;2*1-2H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane?
N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane has a molecular weight of 255.49 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane is sourced from PubChem (CID 142406278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).